Identification
- Generic Name
- Oseltamivir acid
- DrugBank Accession Number
- DB02600
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Oseltamivir acid (DB02600)
- Weight
- Average: 284.3514
Monoisotopic: 284.173607266 - Chemical Formula
- C14H24N2O4
- Synonyms
- Oseltamivir carboxylate
- Oseltamivir free acid
- External IDs
- GS 4071
- GS-4071
- GS4071
- RO-64-0802
- RO-640802
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UNeuraminidase Not Available Influenza A virus (strain A/Tern/Australia/G70C/1975 H11N9) - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAdenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Oseltamivir acid. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Oseltamivir acid. Bacillus calmette-guerin substrain connaught live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Oseltamivir acid. Bacillus calmette-guerin substrain russian BCG-I live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with Oseltamivir acid. Bacillus calmette-guerin substrain tice live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Oseltamivir acid. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Gamma amino acids and derivatives
- Alternative Parents
- Acetamides / Secondary carboxylic acid amides / Amino acids / Monocarboxylic acids and derivatives / Dialkyl ethers / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives show 1 more
- Substituents
- Acetamide / Aliphatic homomonocyclic compound / Amine / Amino acid / Carbonyl group / Carboxamide group / Carboxylic acid / Dialkyl ether / Ether / Gamma amino acid or derivatives show 11 more
- Molecular Framework
- Aliphatic homomonocyclic compounds
- External Descriptors
- acetate ester, primary amino compound, amino acid, cyclohexenecarboxylic acid (CHEBI:73139)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- K6106LV5Q8
- CAS number
- 187227-45-8
- InChI Key
- NENPYTRHICXVCS-YNEHKIRRSA-N
- InChI
- InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
- IUPAC Name
- (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
- SMILES
- CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 2ht7 / 2ht8 / 2hu0 / 2hu4 / 2qwh / 2qwk / 2ya8 / 3cl0 / 3cl2 / 3k3a … show 32 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.15 mg/mL ALOGPS logP -1.3 ALOGPS logP -1.8 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 4.19 Chemaxon pKa (Strongest Basic) 9.33 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 101.65 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 74.69 m3·mol-1 Chemaxon Polarizability 30.33 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.6873 Blood Brain Barrier - 0.9734 Caco-2 permeable - 0.7604 P-glycoprotein substrate Substrate 0.6371 P-glycoprotein inhibitor I Non-inhibitor 0.7154 P-glycoprotein inhibitor II Non-inhibitor 0.9696 Renal organic cation transporter Non-inhibitor 0.9664 CYP450 2C9 substrate Non-substrate 0.8731 CYP450 2D6 substrate Non-substrate 0.8359 CYP450 3A4 substrate Non-substrate 0.5248 CYP450 1A2 substrate Non-inhibitor 0.9025 CYP450 2C9 inhibitor Non-inhibitor 0.8743 CYP450 2D6 inhibitor Non-inhibitor 0.9302 CYP450 2C19 inhibitor Non-inhibitor 0.7786 CYP450 3A4 inhibitor Non-inhibitor 0.8916 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9272 Ames test Non AMES toxic 0.7984 Carcinogenicity Non-carcinogens 0.8903 Biodegradation Not ready biodegradable 0.8003 Rat acute toxicity 2.2356 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9874 hERG inhibition (predictor II) Non-inhibitor 0.9614
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 179.1438936 predictedDarkChem Lite v0.1.0 [M-H]- 173.99095 predictedDeepCCS 1.0 (2019) [M-H]- 179.1438936 predictedDarkChem Lite v0.1.0 [M-H]- 173.99095 predictedDeepCCS 1.0 (2019) [M+H]+ 179.9161936 predictedDarkChem Lite v0.1.0 [M+H]+ 176.34895 predictedDeepCCS 1.0 (2019) [M+H]+ 179.9161936 predictedDarkChem Lite v0.1.0 [M+H]+ 176.34895 predictedDeepCCS 1.0 (2019) [M+Na]+ 179.4717936 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.30745 predictedDeepCCS 1.0 (2019) [M+Na]+ 179.4717936 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.30745 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Influenza A virus (strain A/Tern/Australia/G70C/1975 H11N9)
- Pharmacological action
- Unknown
- General Function
- Metal ion binding
- Specific Function
- Catalyzes the removal of terminal sialic acid residues from viral and cellular glycoconjugates. Cleaves off the terminal sialic acids on the glycosylated HA during virus budding to facilitate virus...
- Gene Name
- NA
- Uniprot ID
- P03472
- Uniprot Name
- Neuraminidase
- Molecular Weight
- 52468.405 Da
References
Drug created at June 13, 2005 13:24 / Updated at August 01, 2020 13:44